triphenyl-[6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]naphthalen-2-yl]-λ4-sulfane

C64H44N2S — CID 156571418

IUPACtriphenyl-[6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]naphthalen-2-yl]-λ4-sulfane
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6cc(S(c7ccccc7)(c7ccccc7)c7ccccc7)ccc6c5)cc4)ccc32)cc1
InChIInChI=1S/C64H44N2S/c1-5-17-51(18-6-1)65-61-27-15-13-25-57(61)59-43-49(35-39-63(59)65)45-29-31-46(32-30-45)50-36-40-64-60(44-50)58-26-14-16-28-62(58)66(64)52-37-33-48-42-56(38-34-47(48)41-52)67(53-19-7-2-8-20-53,54-21-9-3-10-22-54)55-23-11-4-12-24-55/h1-44H
InChIKeyKTJVBYPLNLVPBG-UHFFFAOYSA-N
MW873.14 g/mol
LogP17.71
Rot. Bonds8

About triphenyl-[6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]naphthalen-2-yl]-λ4-sulfane

triphenyl-[6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]naphthalen-2-yl]-λ4-sulfane (PubChem CID 156571418) has the molecular formula C64H44N2S and a molecular weight of 873.14 g/mol. Its IUPAC name is triphenyl-[6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]naphthalen-2-yl]-λ4-sulfane.

Molecular Properties

Compound Nametriphenyl-[6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]naphthalen-2-yl]-λ4-sulfane
PubChem CID156571418
Molecular FormulaC64H44N2S
Molecular Weight873.14 g/mol
Exact Mass872.32
IUPAC Nametriphenyl-[6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]naphthalen-2-yl]-λ4-sulfane
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6cc(S(c7ccccc7)(c7ccccc7)c7ccccc7)ccc6c5)cc4)ccc32)cc1
InChIInChI=1S/C64H44N2S/c1-5-17-51(18-6-1)65-61-27-15-13-25-57(61)59-43-49(35-39-63(59)65)45-29-31-46(32-30-45)50-36-40-64-60(44-50)58-26-14-16-28-62(58)66(64)52-37-33-48-42-56(38-34-47(48)41-52)67(53-19-7-2-8-20-53,54-21-9-3-10-22-54)55-23-11-4-12-24-55/h1-44H
InChIKeyKTJVBYPLNLVPBG-UHFFFAOYSA-N
XLogP17.71
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.14
LogP ≤ 517.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142
3-(9-phenylcarbazol-3-yl)-9-(6-phenylnaphthalen-2-yl)carbazole
CID 118581886
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 164948724
triphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-λ4-sulfane
CID 167052172
3-[4-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 118919603
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118919659
3-[3-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 126764146
3-deuterio-6-(6-deuterio-9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-deuterio-6-[6-deuterio-9-(4-phenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-9-naphthalen-2-yl-6-phenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-6,9-diphenylcarbazole
CID 157333681
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312

Frequently Asked Questions

What is the IUPAC name of triphenyl-[6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]naphthalen-2-yl]-λ4-sulfane?
The IUPAC name of triphenyl-[6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]naphthalen-2-yl]-λ4-sulfane (CID 156571418) is triphenyl-[6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]naphthalen-2-yl]-λ4-sulfane.
What is the SMILES notation for triphenyl-[6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]naphthalen-2-yl]-λ4-sulfane?
The canonical SMILES for triphenyl-[6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]naphthalen-2-yl]-λ4-sulfane is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6cc(S(c7ccccc7)(c7ccccc7)c7ccccc7)ccc6c5)cc4)ccc32)cc1.
What is the InChIKey of triphenyl-[6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]naphthalen-2-yl]-λ4-sulfane?
The InChIKey is KTJVBYPLNLVPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2S/c1-5-17-51(18-6-1)65-61-27-15-13-25-57(61)59-43-49(35-39-63(59)65)45-29-31-46(32-30-45)50-36-40-64-60(44-50)58-26-14-16-28-62(58)66(64)52-37-33-48-42-56(38-34-47(48)41-52)67(53-19-7-2-8-20-53,54-21-9-3-10-22-54)55-23-11-4-12-24-55/h1-44H.
What are the key properties of triphenyl-[6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]naphthalen-2-yl]-λ4-sulfane?
triphenyl-[6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]naphthalen-2-yl]-λ4-sulfane has a molecular weight of 873.14 g/mol, XLogP of 17.71, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]naphthalen-2-yl]-λ4-sulfane is sourced from PubChem (CID 156571418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).